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Succinic acid, hex-4-yn-3-yl 2-methoxyethyl ester

View entire compound with spectra: 1 NMR, and 1 FTIR

Succinic acid, hex-4-yn-3-yl 2-methoxyethyl ester
SpectraBase Compound ID 8E39fbezfkC
InChI InChI=1S/C13H20O5/c1-4-6-11(5-2)18-13(15)8-7-12(14)17-10-9-16-3/h11H,5,7-10H2,1-3H3
InChIKey CSRSYWDFQYIKNQ-UHFFFAOYSA-N
Mol Weight 256.3 g/mol
Molecular Formula C13H20O5
Exact Mass 256.131074 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID HoQxncznIYX
Name Succinic acid, hex-4-yn-3-yl 2-methoxyethyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 256.131073739 u
Formula C13H20O5
InChI InChI=1S/C13H20O5/c1-4-6-11(5-2)18-13(15)8-7-12(14)17-10-9-16-3/h11H,5,7-10H2,1-3H3
InChIKey CSRSYWDFQYIKNQ-UHFFFAOYSA-N
Molecular Weight 256.298 g/mol
SMILES C(CC(OC(CC)C#CC)=O)C(OCCOC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.984619